7-bromo-2-(2,6-dichloroanilino)-N-propan-2-yl-3H-benzimidazole-5-carboxamide

C17H15BrCl2N4O — CID 58562378

IUPAC7-bromo-2-(2,6-dichloroanilino)-N-propan-2-yl-3H-benzimidazole-5-carboxamide
SMILESCC(C)NC(=O)c1cc(Br)c2nc(Nc3c(Cl)cccc3Cl)[nH]c2c1
InChIInChI=1S/C17H15BrCl2N4O/c1-8(2)21-16(25)9-6-10(18)14-13(7-9)22-17(23-14)24-15-11(19)4-3-5-12(15)20/h3-8H,1-2H3,(H,21,25)(H2,22,23,24)
InChIKeyHUVTWFWUJSAWFE-UHFFFAOYSA-N
MW442.14 g/mol
LogP5.51
Rot. Bonds4

About 7-bromo-2-(2,6-dichloroanilino)-N-propan-2-yl-3H-benzimidazole-5-carboxamide

7-bromo-2-(2,6-dichloroanilino)-N-propan-2-yl-3H-benzimidazole-5-carboxamide (PubChem CID 58562378) has the molecular formula C17H15BrCl2N4O and a molecular weight of 442.14 g/mol. Its IUPAC name is 7-bromo-2-(2,6-dichloroanilino)-N-propan-2-yl-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name7-bromo-2-(2,6-dichloroanilino)-N-propan-2-yl-3H-benzimidazole-5-carboxamide
PubChem CID58562378
Molecular FormulaC17H15BrCl2N4O
Molecular Weight442.14 g/mol
Exact Mass439.98
IUPAC Name7-bromo-2-(2,6-dichloroanilino)-N-propan-2-yl-3H-benzimidazole-5-carboxamide
SMILESCC(C)NC(=O)c1cc(Br)c2nc(Nc3c(Cl)cccc3Cl)[nH]c2c1
InChIInChI=1S/C17H15BrCl2N4O/c1-8(2)21-16(25)9-6-10(18)14-13(7-9)22-17(23-14)24-15-11(19)4-3-5-12(15)20/h3-8H,1-2H3,(H,21,25)(H2,22,23,24)
InChIKeyHUVTWFWUJSAWFE-UHFFFAOYSA-N
XLogP5.51
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.14
LogP ≤ 55.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 7-(2,6-dichloroanilino)-2-methyl-6H-imidazo[4,5-e][1,3]benzoxazole-4-carboxylate
CID 67503962
1-[2-(2,6-dichloroanilino)-3H-imidazo[4,5-c]pyridin-6-yl]ethanone
CID 90793369
2-(2,6-dichloroanilino)-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109319628
N-(3-bromophenyl)-2-(2,6-dichloroanilino)-3H-benzimidazole-5-carboxamide
CID 45138811
2-(2,6-dichloroanilino)-3H-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 67327957
2-(2,6-dichloroanilino)-N-(2,6-dimethyl-3-pyridinyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide
CID 56969599
2-N-(2,5-dichlorophenyl)-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 109093790
2-N-(2-bromophenyl)-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 109093772
4,6-dichloro-N-propan-2-yl-1H-benzimidazole-2-carboxamide
CID 162478968
3-chloro-N-propan-2-ylbenzamide
CID 669184
2-(2-chloro-6-methylanilino)-7,7-dimethyl-N-(2,4,6-trifluorophenyl)-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide
CID 56970655
2-(2,6-dichloroanilino)-7,7-dimethyl-N-[2-(trifluoromethyl)phenyl]-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide
CID 56969811

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(2,6-dichloroanilino)-N-propan-2-yl-3H-benzimidazole-5-carboxamide?
The IUPAC name of 7-bromo-2-(2,6-dichloroanilino)-N-propan-2-yl-3H-benzimidazole-5-carboxamide (CID 58562378) is 7-bromo-2-(2,6-dichloroanilino)-N-propan-2-yl-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 7-bromo-2-(2,6-dichloroanilino)-N-propan-2-yl-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 7-bromo-2-(2,6-dichloroanilino)-N-propan-2-yl-3H-benzimidazole-5-carboxamide is CC(C)NC(=O)c1cc(Br)c2nc(Nc3c(Cl)cccc3Cl)[nH]c2c1.
What is the InChIKey of 7-bromo-2-(2,6-dichloroanilino)-N-propan-2-yl-3H-benzimidazole-5-carboxamide?
The InChIKey is HUVTWFWUJSAWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrCl2N4O/c1-8(2)21-16(25)9-6-10(18)14-13(7-9)22-17(23-14)24-15-11(19)4-3-5-12(15)20/h3-8H,1-2H3,(H,21,25)(H2,22,23,24).
What are the key properties of 7-bromo-2-(2,6-dichloroanilino)-N-propan-2-yl-3H-benzimidazole-5-carboxamide?
7-bromo-2-(2,6-dichloroanilino)-N-propan-2-yl-3H-benzimidazole-5-carboxamide has a molecular weight of 442.14 g/mol, XLogP of 5.51, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-(2,6-dichloroanilino)-N-propan-2-yl-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 58562378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).